4-(4-Hexadecyloxy-phenyl)-butyric acid (2R,3S,4S,5R,6R)-6-{(2R,3R,4S,5S,6R)-6-[4-(4-hexadecyloxy-phenyl)-butyryloxymethyl]-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy}-3,4,5-trihydroxy-tetrahydro-pyran-2-ylmethyl ester | 74501-35-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 糖脂
• 英文名称: 4-(4-Hexadecyloxy-phenyl)-butyric acid (2R,3S,4S,5R,6R)-6-{(2R,3R,4S,5S,6R)-6-[4-(4-hexadecyloxy-phenyl)-butyryloxymethyl]-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy}-3,4,5-trihydroxy-tetrahydro-pyran-2-ylmethyl ester
• 英文别名: [(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-6-[4-(4-hexadecoxyphenyl)butanoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-(4-hexadecoxyphenyl)butanoate
• CAS: 74501-35-2
• 化学式: C₆₄H₁₀₆O₁₅
• 分子量: 1115.54
• InChiKey: QUCMPSJGMKYQCX-LYGGLBFXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.8
• 重原子数：
  79
• 可旋转键数：
  48
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  220
• 氢给体数：
  6
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  [(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-6-[4-(4-hexadecoxyphenyl)butanoyloxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 4-(4-hexadecoxyphenyl)butanoate 生成 4-(4-Hexadecyloxy-phenyl)-butyric acid (2R,3S,4S,5R,6R)-6-{(2R,3R,4S,5S,6R)-6-[4-(4-hexadecyloxy-phenyl)-butyryloxymethyl]-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy}-3,4,5-trihydroxy-tetrahydro-pyran-2-ylmethyl ester
  参考文献：
  名称：

  LIAV, A.;GOREN, M. B.

  摘要：

  DOI：

文献信息

• Synthesis of 6,6′-di-O-acylated α,α-trehaloses via 2,3,4,2′,3′,4′-hexa-O-benzyl-α,α-trehalose
  作者：Avraham Liav、Mayer B. Goren

  DOI：10.1016/s0008-6215(00)85692-x

  日期：1980.5